N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 332692
• Molecular Formular: C23H27FN4O
• Molecular Mass: 394.4850832
• Monoisotopic Mass: 394.21688972
• SMILES: c1(C(=O)N(CC2CN(CCc3c(F)cccc3)CCC2)C)cn2c(ncc2)cc1
• Canonical SMILES: CN(C(=O)c1ccc2n(c1)ccn2)CC1CCCN(C1)CCc1ccccc1F
• InChI: InChI=1S/C23H27FN4O/c1-26(23(29)20-8-9-22-25-11-14-28(22)17-20)15-18-5-4-12-27(16-18)13-10-19-6-2-3-7-21(19)24/h2-3,6-9,11,14,17-18H,4-5,10,12-13,15-16H2,1H3
• InChIKey: BBYISSSMFQDDAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8277952
• LogD (pH = 7.4): 1.4794732
• Log P: 2.7423418
• Molar Refractivity: 114.5625 cm^3
• Polarizability: 42.66274 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.45
• LOG S: -4.17
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6